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TC-G 1005

CAT: 0804-HY-110173-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110173-01Size:5 mg
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Description
TC-G 1005 is a potent, selective and orally active agonist of the BA receptor Takeda G protein-coupled receptor 5 (TGR5), with EC50s of 0.72 and 6.2 nM for hTGR5 and mTGR5, respectively. TC-G 1005 can reduce glucose levels in vivo[1][2].
CAS Number
1415407-60-1
UNSPSC
12352005
Target
G protein-coupled Bile Acid Receptor 1
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/tc-g-1005.html
Concentration
10mM
Purity
99.34
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
O=C(C1=CN=CC=C1OC2=C(C=CC(C)=C2)C)N3C4=CC=CC=C4N(C5CC5)CC3
Molecular Formula
C25H25N3O2
Molecular Weight
399.48
References & Citations
[1]Duan H, et, al. Design, synthesis, and antidiabetic activity of 4-phenoxynicotinamide and 4-phenoxypyrimidine-5-carboxamide derivatives as potent and orally efficacious TGR5 agonists. J Med Chem. 2012 Dec 13;55 (23) :10475-89.|[2]Urso A, et, al. Bile acids inhibit cholinergic constriction in proximal and peripheral airways from humans and rodents. Am J Physiol Lung Cell Mol Physiol. 2020 Feb 1;318 (2) :L264-L275.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(4-Cyclopropyl-3,4-dihydro-1(2H)-quinoxalinyl)[4-(2,5-dimethylphenoxy)-3-pyridinyl]methanone
CAS Number1415407-60-1
PubChem CID71450251
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dimethylphenoxy)-3-pyridinyl]methanone
Molecular FormulaC25H25N3O2
Molecular Weight399.5
XLogP4.6
Topological Polar Surface Area45.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity609
SMILES
CC1=CC(=C(C=C1)C)OC2=C(C=NC=C2)C(=O)N3CCN(C4=CC=CC=C43)C5CC5
InChI
InChI=1S/C25H25N3O2/c1-17-7-8-18(2)24(15-17)30-23-11-12-26-16-20(23)25(29)28-14-13-27(19-9-10-19)21-5-3-4-6-22(21)28/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3
InChIKey
JQULIQJSYPZQMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Cyclopropyl-3,4-dihydro-1(2H)-quinoxalinyl)[4-(2,5-dimethylphenoxy)-3-pyridinyl]methanone
CAS: 1415407-60-1
CID: 71450251
Formula: C25H25N3O2
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass399.19467705
Monoisotopic Mass399.19467705
Topological Polar Surface Area45.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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